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Listar por autor "Soto-Martin, Juan"
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Comparative study of different theoretical approaches for modeling the dependence of the SERS vibrational wavenumbers on the electrode potential
Aranda, Daniel; Valdivia, Samuel; Soto-Martin, Juan; López-Tocón, Isabel; Avila, Francisco J.; [et al.] (2019-07-25)Surface-enhanced Raman scattering (SERS) is a powerful technique to study the electronic structure of charged metal-molecule interfaces, which are relevant in many fields like electrochemistry, heterogeneous catalysis or ... -
A computational study of the vibrationally-resolved electronic circular dichroism spectra of single-chain transoid and cisoid oligothiophenes in chiral conformations
Aranda Ruiz, Daniel; Cerezo Bastida, Javier; Pescitelli, Gennaro; Avila Ferrer, Francisco José; Soto-Martin, Juan; [et al.] (2019-07-19)Chiral polythiophenes (PTs) are interesting as organic electronics materials because of their optoelectronic properties, which may arise from ordered supramolecular packings. Chiroptical techniques like ECD can detect these ... -
Frequency shift on the potential-dependent surface-enhanced Raman scattering of pyridine: simplified models for metal and solvent effects
Aranda, Daniel; López-Tocón, Isabel; Soto-Martin, Juan; Otero-Fernandezde-Molina, Juan Carlos; Avila, Francisco J. (2018-07-18)The electronic structure of adsorbates is altered when it interacts with a surface, modifying the properties of both entities and giving rise to interesting phenomena related to heterogeneous catalysis or molecular ... -
Modeling the effect of the electrode potential in SERS by electronic structure calculations.
Avila, Francisco J.; Aranda, Daniel; Román-Pérez, Jéssica; López-Ramírez, María Rosa; López-Tocón, Isabel; [et al.] (2018-07-18)Surface Enhanced Raman Spectroscopy (SERS), due to the ability of greatly intensify the weak Raman signal of molecules adsorbed to metal surfaces, has proven to be a very useful tool to investigate changes in the electronic ... -
SERS study of different species of p-aminothiophenol adsorbed on silver nanoparticles
López-Ramírez, María Rosa; Ávila Ferrer, Francisco José; Otero-Fernandezde-Molina, Juan Carlos; Soto-Martin, Juan; Otero-Fernandezde-Molina (2018-06-01)In the present work we have focused the discussion on the experimental and theoretical SERS spectra of the organic compound pATP recorded on silver colloids. The huge SERS of pATP on metal substrates is significantly ...